1-(2,4-Dimethylphenyl)-4-[3-(trifluoromethyl)piperidin-1-yl]pyrazolo[3,4-d]pyrimidine | 1086006-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,4-Dimethylphenyl)-4-[3-(trifluoromethyl)piperidin-1-yl]pyrazolo[3,4-d]pyrimidine
• CAS: 1086006-89-4
• 化学式: C₁₉H₂₀F₃N₅
• 分子量: 375.397
• InChiKey: MPOUFYHFTBIYSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(三氟甲基)哌啶 、 4-氯-1-(2,4-二甲基苯基)吡唑并[3,4-d]嘧啶 在 polymer-bound diethylamine 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 1-(2,4-Dimethylphenyl)-4-[3-(trifluoromethyl)piperidin-1-yl]pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  Positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4): Part I. Discovery of pyrazolo[3,4-d]pyrimidines as novel mGluR4 positive allosteric modulators

  摘要：

  This letter describes the synthesis and SAR, developed through an iterative analogue library approach, of an mGluR4 positive allosteric modulator lead based on a pyrazolo[3,4-d] pyrimidine scaffold. Despite tremendous therapeutic potential, Compound 7, VU0080421, and related congeners represent only a handful of mGluR4 positive allosteric modulators ever described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.087

文献信息

• Positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4): Part I. Discovery of pyrazolo[3,4-d]pyrimidines as novel mGluR4 positive allosteric modulators
  作者：Colleen M. Niswender、Evan P. Lebois、Qingwei Luo、Kwangho Kim、Hubert Muchalski、Huiyong Yin、P. Jeffrey Conn、Craig W. Lindsley

  DOI：10.1016/j.bmcl.2008.08.087

  日期：2008.10

  This letter describes the synthesis and SAR, developed through an iterative analogue library approach, of an mGluR4 positive allosteric modulator lead based on a pyrazolo[3,4-d] pyrimidine scaffold. Despite tremendous therapeutic potential, Compound 7, VU0080421, and related congeners represent only a handful of mGluR4 positive allosteric modulators ever described. (C) 2008 Elsevier Ltd. All rights reserved.